N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide
TL;DR: N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide (CAS 6284-51-1) is a chemical compound with molecular formula C29H32N6O7 and molecular weight 576.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Z-Phe-Cit 4-NPHA, N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide, N-benzyloxycarbonyl-L-phenylalanylcitrulline para-nitroanilide, benzyloxycarbonyl-L-phenylalanyl-L-citrulline p-nitroanilide, benzyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
| Molecular Formula | C29H32N6O7 |
|---|---|
| Molecular Weight | 576.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 576.2333 |
| Heavy Atoms | 42 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 6284-51-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)NC(=O)[C@H](CCCNC(=O)N)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3 |
| InChIKey | QROAVNLCELFCFQ-DQEYMECFSA-N |
Product Overview
N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide (CAS 6284-51-1), with molecular formula C29H32N6O7 and molecular weight 576.23 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide
Property Insights of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide
The XLogP value of 3.6 indicates that N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide?
The CAS number of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide is 6284-51-1.
What is the molecular formula of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide?
The molecular formula of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide is C29H32N6O7.
What is the molecular weight of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide?
The molecular weight of N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide is 576.23 g/mol.
Where can I buy N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide?
You can request a quote for N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.